2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid

C8H16N2O3 — CID 121306001

IUPAC2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid
SMILESNCCC1CC(O)CCN1C(=O)O
InChIInChI=1S/C8H16N2O3/c9-3-1-6-5-7(11)2-4-10(6)8(12)13/h6-7,11H,1-5,9H2,(H,12,13)
InChIKeyFDSIXVNSWZXJBU-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.16
Rot. Bonds2

About 2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid

2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid (PubChem CID 121306001) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid
PubChem CID121306001
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid
SMILESNCCC1CC(O)CCN1C(=O)O
InChIInChI=1S/C8H16N2O3/c9-3-1-6-5-7(11)2-4-10(6)8(12)13/h6-7,11H,1-5,9H2,(H,12,13)
InChIKeyFDSIXVNSWZXJBU-UHFFFAOYSA-N
XLogP-0.16
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid (CID 121306001) is 2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid is NCCC1CC(O)CCN1C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid?
The InChIKey is FDSIXVNSWZXJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c9-3-1-6-5-7(11)2-4-10(6)8(12)13/h6-7,11H,1-5,9H2,(H,12,13).
What are the key properties of 2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid?
2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid has a molecular weight of 188.23 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 121306001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).